SCHEMBL16730548

SCHEMBL16730548

CCC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 6/20 0.77
▸ TNF P01375 4/20 0.77
▸ PDE4A P27815 3/20 0.77
▸ LMNA P02545 2/20 0.77
▸ CYP1A2 P05177 2/20 0.77
▸ NFKB1 P19838 2/20 0.77
▸ ACHE P22303 2/20 0.77
▸ PMP22 Q01453 2/20 0.77
▸ PDE4B Q07343 2/20 0.77
▸ PDE4C Q08493 2/20 0.77
▸ PDE4D Q08499 2/20 0.77
▸ USP2 O75604 1/20 0.77
▸ TSHR P16473 1/20 0.77
▸ SMN1; SMN2 Q16637 1/20 0.77
▸ RXFP1 Q9HBX9 1/20 0.77
▸ BLM P54132 2/20 0.61
▸ ESR1 P03372 1/20 0.61
▸ MAPT P10636 1/20 0.61
▸ AKR1B1 P15121 1/20 0.57
▸ CHIT1 Q13231 1/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25668861 0.91 ADORA2B (0.76) ADORA2BTNFPDE4ALMNACYP1A2
SCHEMBL9123779 0.91 ADORA2B (0.79) ADORA2BTNFPDE4ALMNACYP1A2
SCHEMBL22471325 0.91 TNF (0.71) ADORA2BTNFPDE4ALMNACYP1A2
SCHEMBL9123835 0.90 ADORA2B (0.74) ADORA2BTNFPDE4ALMNACYP1A2
SCHEMBL9122988 0.90 ADORA2B (0.74) ADORA2BTNFPDE4ALMNACYP1A2
SCHEMBL9123285 0.90 ADORA2B (0.74) ADORA2BTNFPDE4ALMNACYP1A2
SCHEMBL8686059 0.90 ADORA2B (0.74) ADORA2BTNFPDE4ALMNACYP1A2
SCHEMBL10522346 0.89 ADORA2B (0.76) ADORA2BTNFPDE4ALMNACYP1A2
SCHEMBL8002916 0.89 ADORA2B (0.76) ADORA2BTNFPDE4ALMNACYP1A2
SCHEMBL19227023 0.88 PDE4A (0.68) ADORA2BTNFPDE4ALMNACYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3481383-B1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME CELLIX BIO PRIVATE LTD (IN) 2023-06-14 — — EP disclosed
US-9333187-B1 Compositions and methods for the treatment of inflammatory bowel disease CELLIX BIO PRIVATE LIMITED (IN) 2016-05-10 — — US disclosed
US-20160122283-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC SYNDROME CELLIX BIO PRIVATE LIMITED (IN) 2016-05-05 — — US disclosed
US-20160120839-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE CELLIX BIO PRIVATE LIMITED (IN) 2016-05-05 — — US disclosed
US-9187427-B2 N-substituted nicotinamide compounds and compositions for the treatment migraine and neurologic diseases CELLIX BIO PRIVATE LIMITED (IN) 2015-11-17 — — US disclosed
US-20150291590-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC DISEASES CELLIX BIO PRIVATE LTD (IN) 2015-10-15 — — US disclosed
US-9102649-B1 Compositions and methods for the treatment of multiple sclerosis CELLIX BIO PRIVATE LIMITED (IN) 2015-08-11 — — US disclosed
US-20150148352-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT ANGINA AND CARDIOVASCULAR CONDITIONS CELLIX BIO PRIVATE LTD (IN) 2015-05-28 — — US disclosed
US-20150141384-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEUROLOGICAL DEGENERATIVE DISORDERS KANDULA MAHESH (US) 2015-05-21 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150291590-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC DISEASES KYNU, TKT, SLC5A1 ADORA2B 1616/4885TNF 1258/4885PDE4A 881/4885
US-20160122283-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC SYNDROME SLC5A1, SLC5A2, SLC2A1 ADORA2B 2558/4885TNF 2032/4885PDE4A 3055/4885
US-20150148352-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT ANGINA AND CARDIOVASCULAR CONDITIONS KCNH1, TNNT2, TNNC1 ADORA2B 379/4885TNF 575/4885PDE4A 415/4885
US-20160120839-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE ALPI, SLC10A2, SI ADORA2B 1774/4885TNF 12/4885PDE4A 1716/4885
US-20150141384-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEUROLOGICAL DEGENERATIVE DISORDERS HTT, SNCA, PARK7 ADORA2B 1884/4885TNF 1439/4885PDE4A 2536/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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